Ba3B10O17Br2: a new barium borate halide with B–O layered structure

A new barium borate halide, Ba3B10O17Br2, has been obtained. A detailed structural comparison with other barium borate halides suggested that Ba3B10O17Br2 is the first barium borate halide with a B–O layered structure. First-principles theoretical studies were conducted to aid understanding of the e...

Full description

Saved in:
Bibliographic Details
Published inDalton transactions : an international journal of inorganic chemistry Vol. 47; no. 46; pp. 16418 - 16421
Main Authors Han, S J, Wu, H P, H Li, Yang, Z H, Pan, S L, Yu, H H
Format Journal Article
LanguageEnglish
Published Cambridge Royal Society of Chemistry 2018
Subjects
Barium
Crystallography
Electronic structure
First principles
Halides
Mathematical analysis
Optical properties
Online AccessGet full text

Cover

More Information
Summary:A new barium borate halide, Ba3B10O17Br2, has been obtained. A detailed structural comparison with other barium borate halides suggested that Ba3B10O17Br2 is the first barium borate halide with a B–O layered structure. First-principles theoretical studies were conducted to aid understanding of the electronic structure and optical properties.
Bibliography:ObjectType-Article-1
SourceType-Scholarly Journals-1
ObjectType-Feature-2
content type line 23
ISSN:1477-9226
1477-9234
DOI:10.1039/c8dt04052d